ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTIron-Mediated Reductive Transformations: Investigation of Reaction MechanismEric J. WeberView Author Information U.S. Environmental Protection Agency, National Exposure Research Laboratory, Ecosystems Division, Athens, Georgia 30605 Cite this: Environ. Sci. Technol. 1996, 30, 2, 716–719Publication Date (Web):January 29, 1996Publication History Received14 July 1995Accepted30 October 1995Revised18 1995Published online29 January 1996Published...

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTChemical- and Sediment-Mediated Reduction of the Azo Dye Disperse Blue 79Eric J. Weber Rebecca L. AdamsCite this: Environ. Sci. Technol. 1995, 29, 5, 1163–1170Publication Date (Print):May 1, 1995Publication History Published online1 May 2002Published inissue 1 1995https://pubs.acs.org/doi/10.1021/es00005a005https://doi.org/10.1021/es00005a005research-articleACS PublicationsRequest reuse permissionsArticle Views736Altmetric-Citations192LEARN ABOUT...

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTTransformation of dyes and related compounds in anoxic sediment: kinetics productsGeorge L. Baughman Eric J. WeberCite this: Environ. Sci. Technol. 1994, 28, 2, 267–276Publication Date (Print):February 1, 1994Publication History Published online1 May 2002Published inissue 1 February 1994https://pubs.acs.org/doi/10.1021/es00051a013https://doi.org/10.1021/es00051a013research-articleACS PublicationsRequest reuse permissionsArticle...

Semiempirical molecular orbital theory and density functional are used to compute one-electron oxidation potentials for aniline a set of 21 mono- di-substituted anilines in aqueous solution. Linear relationships between theoretical predictions experiment constructed provide mean unsigned errors as low 0.02 V over training 13 anilines; the error rises 0.09 test eight additional anilines. A good correlation is also found potential simple computed property, namely energy highest occupied...

Aromatic amines are known to undergo covalent binding with humic substances in the environment. Although previous studies have examined reaction conditions and proposed mechanisms, there has been no direct spectroscopic evidence for of functional groups substances. In order further elucidate Suwannee River IHSS soil fulvic acids were reacted 15N-labeled aniline at pH 6 analyzed using 15N NMR spectrometry. Aniline underwent nucleophilic addition reactions quinone other carbonyl samples became...

Abstract The reductive transformation of azobenzene and selected derivatives was investigated in anaerobic sediment/water systems. azo compounds exhibited pseudo-first-order disappearance kinetics through at least three half-lives. reduction these studied as a function their potential distribution coefficient. There no apparent correlation between the observed rate constant potential. In general, coefficient increased, decreased. Values for ranged from 5.11 × 10−3 min−1 methyl red to 6.03...

Abstract The stereochemical course of the intramolecular allylsilane‐aldehyde condensation 1a has been investigated. A modest preference for product arising from a synclinal orientation double bonds was observed with Lewis ‐acid catalysts. Cyclization induced by fluoride ion resulted in reversal.

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTStereochemistry of allylmetal-aldehyde condensations. 2. AllylstannanesScott E. Denmark and Eric J. WeberCite this: Am. Chem. Soc. 1984, 106, 25, 7970–7971Publication Date (Print):December 1, 1984Publication History Published online1 May 2002Published inissue 1 December 1984https://pubs.acs.org/doi/10.1021/ja00337a053https://doi.org/10.1021/ja00337a053research-articleACS PublicationsRequest reuse permissionsArticle...

A new generation of scientific tools has emerged to rapidly measure signals from cells, tissues, and organisms following exposure chemicals. High-visibility efforts apply these for efficient toxicity testing raise important research questions in science. As vast quantities data high-throughput screening (HTS) vitro assays become available, this information must be translated assess potential risks human health environmental exposures. Exposure is required link on contaminants real-world...

The reaction kinetics for the covalent binding of aniline with reconstituted IHSS humic and fulvic acids, unfractionated DOM isolated from Suwannee River water, whole samples water have been investigated. in each these systems can be adequately described by a simple second-order rate expression. effect varying initial concentration on suggested that approximately 10% sites associated acid are highly reactive quickly saturated. Based kinetic parameters determined isolates, it was estimated...

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSnCl4(4-tert-BuC6H4CHO)2. X-ray crystal structure, solution NMR, and implications for reactions at complexed carbonylsScott E. Denmark, Brad R. Henke, Eric WeberCite this: J. Am. Chem. Soc. 1987, 109, 8, 2512–2514Publication Date (Print):April 1, 1987Publication History Published online1 May 2002Published inissue 1 April 1987https://pubs.acs.org/doi/10.1021/ja00242a046https://doi.org/10.1021/ja00242a046research-articleACS PublicationsRequest reuse...

Cheminformatics-based software tools can predict the molecular structure of transformation products using a library reaction schemes. This paper presents development such for abiotic hydrolysis organic chemicals under environmentally relevant conditions. The schemes in encode process science gathered from peer-reviewed literature and regulatory reports. Each scheme has been ranked on scale one to six based median half-life data set compiled literature-reported rates. These ranks are used...

Perfluoroalkyl and polyfluoroalkyl substances (PFAS) are used in many consumer applications due to their stain repellency, surfactant properties, ability form water-proof coatings use fire suppression. The production, application, transport, disposal of PFAS PFAS-treated products have resulted wide-spread occurrence environmental biological systems. Concern over exposure transformation metabolites has necessitated the development tools predict systems metabolism We developed reaction...

Although next-generation per- and polyfluorinated substances (PFAS) were designed implemented as safer environmentally degradable alternatives to "forever" legacy PFAS, there is little evidence support the actual transformation of these compounds less safety transformed products in environment. Multiple congeners one such PFAS alternative, chloro-perfluoropolyether carboxylates (Cl-PFPECAs), have been found New Jersey soils surrounding a manufacturing facility. These are ideal candidates for...

2,4,6-Trinitrotoluene is a major surface and subsurface contaminant found at numerous munitions production storage facilities. The reductive transformation of 2,4,6-trinitrotoluene (TNT) to aromatic (poly)amines the consequent fate these products were studied in anaerobic aerobic sediment−water systems. Reduction TNT was rapid under both conditions. Nitro-reduction regioselective, leading preferential formation 4-amino-2,6-dinitrotoluene (4-ADNT) 2,4-diamino-6-nitrotoluene (2,4-DANT)....

Regioselectivities in the bisulfide reduction of 10 polynitroaromatics (PNAs) to monoamine products have been determined; four these compounds also reduced by anoxic sediments heterogeneous aqueous solution, and same regioselectivities are observed. Analyses Austin Model 1−Solvation 2 electrostatic potential surfaces for radical anions polynitroaromatic provides a reliable method predicting regioselectivity their reduction. In particular, at minimum-energy geometries it is more negative...

Uncertainty still exists regarding the role(s) of natural organic matter in reduction chemicals anoxic environments. This work studied effect Suwannee river humic acid (SRHA) on nitrobenzenes goethite suspensions by Fe(II) species. The pseudo-first-order rate constant for p-cyanonitrobenzene (k(CNNB)) was different first 3 half-lives systems where Fe(II)aq and dissolved SRHA were equilibrated reverse orders with suspensions. k(CNNB) capacity system having added after lower than that which...

Abstract. Glaciers all over the world are expected to continue retreat due global warming throughout 21st century. Consequently, future seasonal water availability might become scarce once glacier areas have declined below a certain threshold affecting management strategies. Particular attention should be paid glaciers located in karstic environment, as parts of meltwater can drained by underlying karst systems, making it difficult assess availability. In this study tracer experiments,...